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N-(3,4-dichlorophenyl)-2-{[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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N-(3,4-dichlorophenyl)-2-{[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 5EeJLhBEl7e
InChI InChI=1S/C24H20Cl2N4OS/c1-15-6-9-19(10-7-15)30-23(17-5-3-4-16(2)12-17)28-29-24(30)32-14-22(31)27-18-8-11-20(25)21(26)13-18/h3-13H,14H2,1-2H3,(H,27,31)
InChIKey WCFDOXPMKQFTKK-UHFFFAOYSA-N
Mol Weight 483.42 g/mol
Molecular Formula C24H20Cl2N4OS
Exact Mass 482.073488 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IT6fABOULm8
Name N-(3,4-Dichlorophenyl)-2-{[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.073487853 u
Formula C24H20Cl2N4OS
InChI InChI=1S/C24H20Cl2N4OS/c1-15-6-9-19(10-7-15)30-23(17-5-3-4-16(2)12-17)28-29-24(30)32-14-22(31)27-18-8-11-20(25)21(26)13-18/h3-13H,14H2,1-2H3,(H,27,31)
InChIKey WCFDOXPMKQFTKK-UHFFFAOYSA-N
Molecular Weight 483.417 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=C(C)C=CC1)C=1C=CC(=CC1)C)=O)C1=CC(Cl)=C(C=C1)Cl